![2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole structure](/static/products/104/1049754-82-6.webp)
2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
TL;DR: 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole (CAS 1049754-82-6) is a chemical compound with molecular formula C14H18ClN3OS and molecular weight 311.0859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
Also Known As: 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole, (S)-2-((4-methylbenzyl)thio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride, 2-((2S)pyrrolidin-2-yl)-5-[(4-methylphenyl)methylthio]-1,3,4-oxadiazole, chlor ide
Technical Specifications
| Molecular Formula | C14H18ClN3OS |
| Molecular Weight | 311.0859 g/mol |
| XLogP | 3.51662 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0859 Da |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(O2)[C@@H]3CCCN3.Cl |
| InChIKey | AAKHBJRGDGUPSN-YDALLXLXSA-N |
Chemical Property Profile of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
Property Insights of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
The XLogP value of 3.51662 indicates that 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole. Following Lipinski's Rule of Five, 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The CAS number of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is 1049754-82-6.
What is the molecular formula of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The molecular formula of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is C14H18ClN3OS.
What is the molecular weight of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The molecular weight of 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is 311.0859 g/mol.
Where can I buy 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
You can request a quote for 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methyl-benzylsulfanyl)-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.